CID 276722

6870-94-6

Structural Information

Molecular Formula
C22H30O4
SMILES
CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)C)O
InChI
InChI=1S/C22H30O4/c1-12-9-15-16-6-8-22(26,13(2)23)21(16,4)11-18(25)19(15)20(3)7-5-14(24)10-17(12)20/h5,7,10,12,15-16,18-19,25-26H,6,8-9,11H2,1-4H3
InChIKey
UWMKPWKZGHRUQC-UHFFFAOYSA-N
Compound name
17-acetyl-11,17-dihydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

358.21442 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.22170 185.7
[M+Na]+ 381.20364 194.2
[M+NH4]+ 376.24824 197.6
[M+K]+ 397.17758 184.8
[M-H]- 357.20714 186.5
[M+Na-2H]- 379.18909 188.1
[M]+ 358.21387 187.4
[M]- 358.21497 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe